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ethyl 2-{[[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 3yiQAAlNswb
InChI InChI=1S/C22H25N3O6S/c1-3-31-22(29)18-14-7-5-4-6-8-17(14)32-21(18)24-19(27)20(28)25-23-12-13-9-10-15(26)16(11-13)30-2/h9-12,26H,3-8H2,1-2H3,(H,24,27)(H,25,28)/b23-12+
InChIKey KKRDNDJGKVVXPH-FSJBWODESA-N
Mol Weight 459.52 g/mol
Molecular Formula C22H25N3O6S
Exact Mass 459.146407 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GlFFZcSa9ve
Name ethyl 2-{[[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H25N3O6S/c1-3-31-22(29)18-14-7-5-4-6-8-17(14)32-21(18)24-19(27)20(28)25-23-12-13-9-10-15(26)16(11-13)30-2/h9-12,26H,3-8H2,1-2H3,(H,24,27)(H,25,28)/b23-12+
InChIKey KKRDNDJGKVVXPH-FSJBWODESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21005
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D51933; Labnumber: NIG-P1685; SBI_ID: SBI-021009
Synonyms ethyl 2-{[[2-(4-hydroxy-3-methoxybenzylidene)hydrazino](oxo)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Temperature 318 °C